N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)methanesulfonamide

C17H28N2O4S — CID 16887679

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)methanesulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C17H28N2O4S/c1-22-12-11-19-9-7-15(8-10-19)13-18-24(20,21)14-16-3-5-17(23-2)6-4-16/h3-6,15,18H,7-14H2,1-2H3
InChIKeyAFRIPTQTTNAXJE-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.47
Rot. Bonds9

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)methanesulfonamide

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)methanesulfonamide (PubChem CID 16887679) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)methanesulfonamide
PubChem CID16887679
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)methanesulfonamide
SMILESCOCCN1CCC(CNS(=O)(=O)Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C17H28N2O4S/c1-22-12-11-19-9-7-15(8-10-19)13-18-24(20,21)14-16-3-5-17(23-2)6-4-16/h3-6,15,18H,7-14H2,1-2H3
InChIKeyAFRIPTQTTNAXJE-UHFFFAOYSA-N
XLogP1.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
CID 16887671
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-(4-methylphenyl)methanesulfonamide
CID 131897813
N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16887837
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 16887670
1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16887673
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895498
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propylbenzenesulfonamide
CID 16887611
2-(4-methoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 16888085
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 16887608
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylbenzenesulfonamide
CID 16887649
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide
CID 171910981
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)methanesulfonamide
CID 16888256

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)methanesulfonamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)methanesulfonamide (CID 16887679) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)methanesulfonamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)methanesulfonamide is COCCN1CCC(CNS(=O)(=O)Cc2ccc(OC)cc2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)methanesulfonamide?
The InChIKey is AFRIPTQTTNAXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-22-12-11-19-9-7-15(8-10-19)13-18-24(20,21)14-16-3-5-17(23-2)6-4-16/h3-6,15,18H,7-14H2,1-2H3.
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)methanesulfonamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)methanesulfonamide has a molecular weight of 356.49 g/mol, XLogP of 1.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 16887679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).